Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 4/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 6/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7054937 | 1.00 | CES1 (0.49) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7050072 | 0.86 | CES1 (0.49) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7050076 | 0.86 | CES1 (0.49) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7049364 | 0.84 | CES1 (0.41) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7049368 | 0.84 | CES1 (0.41) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7049846 | 0.79 | CES1 (0.65) | CES1BCHETGM2CA1ALDH1A1 | |
| SCHEMBL7049842 | 0.79 | CES1 (0.65) | CES1BCHETGM2CA1ALDH1A1 | |
| SCHEMBL4737998 | 0.79 | CES1 (0.71) | CES1BCHETGM2CA1CA12 | |
| SCHEMBL7053388 | 0.77 | CES1 (0.44) | CES1BCHETGM2AGTR1CA1 | |
| SCHEMBL7052947 | 0.72 | KMT2A (0.43) | CES1BCHEALDH1A1LRRK2MAOA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0706396-B1 | 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE | OREGON STATE (US) | 2003-05-02 | — | — | EP | disclosed |
| US-5475007-A | Preventing convulsions | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-12-12 | — | — | US | disclosed |